Geometry & MOs

Info

ID:	144103
PubChem CID:	53312179
Reduced:	O7C22H30 (1)
Stoich.:	A7B22C30 (1)
Weight, g/mol:	465.23108
ΔH_f, kcal/mol:	-258.75
Dipole, Da:	5.08
IP(EA), eV:	-8.43(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(dimethylamino)-4-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)OCC(COC1=CC=C(C=C1)OC2=CC=C(C=C2)OCC(COC)O)O

DOS

IR

Vibrations